3-(dibenzylamino)-2,2-difluoropropanoic acid

C17H17F2NO2 — CID 11645169

IUPAC3-(dibenzylamino)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19,16(21)22)13-20(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)
InChIKeyPIMXRMKJPFZDGP-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.41
Rot. Bonds7

About 3-(dibenzylamino)-2,2-difluoropropanoic acid

3-(dibenzylamino)-2,2-difluoropropanoic acid (PubChem CID 11645169) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(dibenzylamino)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(dibenzylamino)-2,2-difluoropropanoic acid
PubChem CID11645169
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name3-(dibenzylamino)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C17H17F2NO2/c18-17(19,16(21)22)13-20(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22)
InChIKeyPIMXRMKJPFZDGP-UHFFFAOYSA-N
XLogP3.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dibenzylamino)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(dibenzylamino)-2,2-difluoropropanoic acid (CID 11645169) is 3-(dibenzylamino)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(dibenzylamino)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(dibenzylamino)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-(dibenzylamino)-2,2-difluoropropanoic acid?
The InChIKey is PIMXRMKJPFZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-17(19,16(21)22)13-20(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,22).
What are the key properties of 3-(dibenzylamino)-2,2-difluoropropanoic acid?
3-(dibenzylamino)-2,2-difluoropropanoic acid has a molecular weight of 305.32 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibenzylamino)-2,2-difluoropropanoic acid is sourced from PubChem (CID 11645169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).